Quantum Dynamics Movies20 Apr 2016
One of the cool things about working with real-time electronic dynamics is that you can make awesome videos.
I recently made a video of a resonant electronic excitation of hydrogen peroxide.
You can check out the video by clicking the picture below.
The video was made using the real-time TDHF module in Chronus Quantum. We visualize how the electronic density changes over time.
For this simple STO-3G model, hydrogen peroxide strongly absorbs at 18.0 eV. So we apply an oscillating electric field at the same frequency and the electronic density goes nuts. You can do this for any frequency of light, however.
In the future, we can look at more realistic systems with real time TDDFT.
It’s important because this type of phenomena underlies our ability to make better solar cells and faster computer processing devices.